(3-methylcyclohexyl)(2-methylphenyl)methanamine

• ChemBase ID: 274189
• Molecular Formular: C15H23N
• Molecular Mass: 217.34982
• Monoisotopic Mass: 217.18304974
• SMILES: C(c1c(C)cccc1)(C1CC(CCC1)C)N
• Canonical SMILES: CC1CCCC(C1)C(c1ccccc1C)N
• InChI: InChI=1S/C15H23N/c1-11-6-5-8-13(10-11)15(16)14-9-4-3-7-12(14)2/h3-4,7,9,11,13,15H,5-6,8,10,16H2,1-2H3
• InChIKey: FOGSJWPUWBXGDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methylcyclohexyl)(2-methylphenyl)methanamine
• IUPAC Traditional name: (3-methylcyclohexyl)(2-methylphenyl)methanamine
• Synonyms: (3-methylcyclohexyl)(2-methylphenyl)methanamine

Database IDs

• MDL Number: MFCD16169970
• PubChem SID: 164330099
• PubChem CID: 54593060

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.0624273
• LogD (pH = 7.4): 1.7496116
• Log P: 4.073505
• Molar Refractivity: 69.5364 cm^3
• Polarizability: 27.697195 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.492

Product Information

• Purity: 95%